A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...

Lockheed Martin’s ACES platform delivers a shared virtual battlespace that strengthens readiness, interoperability, and faster decision-making through advanced, integrated modeling and simulation ...

Theory, computation, and simulation are foundational to modern energy research. Theoretical understanding reveals why materials and systems behave as they do, predicting performance before experiments ...

Computational analysis using rigidity-theory indicates that activation of the human adenosine A 2A receptor (shown here) is regulated by long-range allosteric communication pathways (highlighted in ...

Temperature adds another challenge. Standard DFT is essentially a zero-temperature approach, so thermal effects must be ...